Name: Name:2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019NBK
Rating: 90 (10 reviews)

2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:

926269-51-4

Catalog Number:

AG019NBK

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

Catalog Number:

AG019NBK

Chemical Name:

2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS Number:

926269-51-4

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

MDL Number:

MFCD09044656

IUPAC Name:

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

InChI:

InChI=1S/C13H12Cl2N2O2/c1-7-10(6-13(18)19)8(2)17(16-7)9-3-4-11(14)12(15)5-9/h3-5H,6H2,1-2H3,(H,18,19)

InChI Key:

ZXBAIKNVFZPFAM-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c(C)nn(c1C)c1ccc(c(c1)Cl)Cl

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.151g/mol

Monoisotopic Mass:

298.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4